SCHEMBL3018601

SCHEMBL3018601

CCOC(=O)c1cc(Br)cc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
CDC7 O00311 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5777081 0.78 ABCB1 (0.50) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL3093655 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL841568 0.71 CYP1A2 (0.61) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL3018603 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL19787931 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL1181592 0.67 S1PR3 (0.34) ALDH1A1
SCHEMBL1425164 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB
SCHEMBL14151499 0.66
SCHEMBL14152229 0.66 NPC1 (0.32) POLBNPC1KDM4E
SCHEMBL2222620 0.66 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2CYP1A2MAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 ALDH1A1 4545/4885SMN1; SMN2 3602/4885CYP1A2 4884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.